Aug 8 2008
Contents
 
Introduction
Overview - RECOMMENDED READING FOR NEW ICM USERS
File Menu
Graphics Move Tools
Display Tab
Light Tab
Labels Tab
PDB Search Tab
Meshes Tab
View Menu
Selections
Tables
Local DB
Sequences
Bioinfo Menu
Tools Menu - Xray
Tools Menu - 3D Predict
Tools Menu - Analysis
Tools Menu - Superimpose
Homology and Modelling
Working with Chemistry Tools
Chemsitry Menu
Docking
Ligand Editor
Animations, Slides, & Documents
ActiveICM
Movie Making
Frequently Asked Questions
Tutorial - Graphical Display
Molecular Document
Tutorial - Working with PDB Protein Structures
Tutorial - Working with Sequence Alignments
Tutorial - Ligand Binding Pocket Analysis
 Ligand Pocket
 Pocket Conservation
 Displaying Key Hydrogen Bonds
Tutorial - Homology and Modeling Tools
Tutorial - Crystallographic Analysis Tools
Tutorial - Working with Chemical Tables
Tutorial - Working with the Molecular Editor
Tutorial - Chemical Searching
Tutorial - Docking and Virtual Ligand Screening
 
Index
PrevICM User's Guide
33.3 Displaying hydrogen bonds between a ligand and receptor.
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NOTE: The method by which hydrogen bonds are calculated is described here in the command line manual. The GRAPHICS.hbondMinStrength parameter determines the hbond strength threshold for hbond display. The strength value is between 0. and 2. By changing 1. to 0.2 you will see more weak hydrogen bonds.

  • As an example we will use the PDB structure 1STP. Type 1STP in the pdb search tab and press return.
  • In order to display energy related properties we need to convert the PDB file into an ICM object. To convert 1STP into an ICM object follow the instructions Converting a Protein into an ICM Object. In this example, the option "Replace the Original" was selected.
  • Display the receptor in wire format and the ligand in xstick.
  • Right click on the ligand and select "Neighbors" - Enter 3 Angstroms and Type = Visible. Do not exclude source (the ligand) therefore remove tick from box entitled "exclude source".
  • Select the display tab and then select the Display H-Bond button.


NOTE: Different options for displaying the H-bond can be accessed by clicking and holding on the H-bond button in the "Display" tab.


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